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(1S,4S,5R)-1,4-Dicyano-7,7-dimethoxy-6,6-dimethyl-2,3-benzo-bicyclo[3.3.1]nonane

View entire compound with spectra: 1 MS (GC)

(1S,4S,5R)-1,4-Dicyano-7,7-dimethoxy-6,6-dimethyl-2,3-benzo-bicyclo[3.3.1]nonane
SpectraBase Compound ID 2nhur9n10OM
InChI InChI=1S/C19H22N2O2/c1-17(2)16-9-18(12-21,11-19(17,22-3)23-4)15-8-6-5-7-13(15)14(16)10-20/h5-8,14,16H,9,11H2,1-4H3/t14-,16-,18-/m1/s1
InChIKey LMYQKHXOFKRGNZ-QGPMSJSTSA-N
Mol Weight 310.4 g/mol
Molecular Formula C19H22N2O2
Exact Mass 310.168128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3m9uI7F2qpg
Name (1S,4S,5R)-1,4-Dicyano-7,7-dimethoxy-6,6-dimethyl-2,3-benzo-bicyclo[3.3.1]nonane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22N2O2
InChI InChI=1S/C19H22N2O2/c1-17(2)16-9-18(12-21,11-19(17,22-3)23-4)15-8-6-5-7-13(15)14(16)10-20/h5-8,14,16H,9,11H2,1-4H3/t14-,16-,18-/m1/s1
InChIKey LMYQKHXOFKRGNZ-QGPMSJSTSA-N
Molecular Weight 310.397 g/mol
SMILES [C@@]12(C[C@@](C(C(C2)(OC)OC)(C)C)([C@@](c2c1cccc2)(C#N)[H])[H])C#N
SPLASH splash10-000j-9110000000-544944efef223287398d
Source of Spectrum K-2001-59-19
Synonyms (1S,8S,9R)-11,11-dimethoxy-10,10-dimethyltricyclo[7.3.1.0(2,7)]trideca-2,4,6-triene-1,8-dicarbonitrile cis-1,4-Dicyano-7,7-dimethoxy-6,6-dimethyl-2,3-benzo-cis-bicyclo[3.3.1]nonane
Wiley ID 1580267